BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	Mark Abraham <mark.j.abraham@gmail.com>
	Sun, 5 Jan 2020 21:16:52 +0000 (22:16 +0100)
committer	Mark Abraham <mark.j.abraham@gmail.com>
	Thu, 9 Jan 2020 15:37:01 +0000 (16:37 +0100)
commit	97c8dcb67407357cb3092b8e1cb32939d94a2f1b
tree	9c5d40ee2553507e235c8e7c31db4919f4d138e2	tree \| snapshot
parent	eb188525f62379aaeaae1cfe1b3d06ed961b4074	commit \| diff

Clean up ewald module internals

This prepares for future refactoring by starting to break up the
cross dependence on many internal headers.

Note that useDecomposition was set (and then used) with the opposite
logic, which was a benign problem that is now fixed.

Change-Id: Ibb7f0ceb82d644374bfd396b38b9611cb8d7fd62

44 files changed:

src/gromacs/domdec/partition.cpp		diff \| blob \| history
src/gromacs/ewald/calculate_spline_moduli.cpp		diff \| blob \| history
src/gromacs/ewald/calculate_spline_moduli.h		diff \| blob \| history
src/gromacs/ewald/long_range_correction.cpp		diff \| blob \| history
src/gromacs/ewald/pme.cpp		diff \| blob \| history
src/gromacs/ewald/pme.h		diff \| blob \| history
src/gromacs/ewald/pme_coordinate_receiver_gpu.h		diff \| blob \| history
src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cpp		diff \| blob \| history
src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.cu		diff \| blob \| history
src/gromacs/ewald/pme_coordinate_receiver_gpu_impl.h		diff \| blob \| history
src/gromacs/ewald/pme_gpu.cpp		diff \| blob \| history
src/gromacs/ewald/pme_gpu_3dfft.cu		diff \| blob \| history
src/gromacs/ewald/pme_gpu_3dfft_ocl.cpp		diff \| blob \| history
src/gromacs/ewald/pme_gpu_internal.cpp		diff \| blob \| history
src/gromacs/ewald/pme_gpu_internal.h		diff \| blob \| history
src/gromacs/ewald/pme_gpu_program.h		diff \| blob \| history
src/gromacs/ewald/pme_gpu_settings.h	[new file with mode: 0644]	blob
src/gromacs/ewald/pme_gpu_staging.h	[new file with mode: 0644]	blob
src/gromacs/ewald/pme_gpu_timings.cpp		diff \| blob \| history
src/gromacs/ewald/pme_gpu_timings.h		diff \| blob \| history
src/gromacs/ewald/pme_gpu_types.h		diff \| blob \| history
src/gromacs/ewald/pme_gpu_types_host.h		diff \| blob \| history
src/gromacs/ewald/pme_internal.h		diff \| blob \| history
src/gromacs/ewald/pme_load_balancing.cpp		diff \| blob \| history
src/gromacs/ewald/pme_only.cpp		diff \| blob \| history
src/gromacs/ewald/pme_only.h	[new file with mode: 0644]	blob
src/gromacs/ewald/pme_output.h	[new file with mode: 0644]	blob
src/gromacs/ewald/pme_pp.cpp		diff \| blob \| history
src/gromacs/ewald/pme_pp.h	[new file with mode: 0644]	blob
src/gromacs/ewald/pme_solve.cpp		diff \| blob \| history
src/gromacs/ewald/pme_spread.cpp		diff \| blob \| history
src/gromacs/ewald/spline_vectors.h	[new file with mode: 0644]	blob
src/gromacs/ewald/tests/pmetestcommon.cpp		diff \| blob \| history
src/gromacs/ewald/tests/pmetestcommon.h		diff \| blob \| history
src/gromacs/ewald/tests/testhardwarecontexts.h		diff \| blob \| history
src/gromacs/mdlib/resethandler.cpp		diff \| blob \| history
src/gromacs/mdlib/sim_util.cpp		diff \| blob \| history
src/gromacs/mdrun/md.cpp		diff \| blob \| history
src/gromacs/mdrun/mimic.cpp		diff \| blob \| history
src/gromacs/mdrun/minimize.cpp		diff \| blob \| history
src/gromacs/mdrun/rerun.cpp		diff \| blob \| history
src/gromacs/mdrun/runner.cpp		diff \| blob \| history
src/gromacs/modularsimulator/modularsimulator.cpp		diff \| blob \| history
src/programs/mdrun/tests/pmetest.cpp		diff \| blob \| history

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